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Exploring Conformer-Dependent Reactivity of Acetaldehyde Oxide with Dimethyl Amine

Secondary organic aerosol (SOA) is a type of air pollution that affects health, air quality, and the global climate. SOA forms when ammonia and related chemicals called amines react with oxygenated species.
Laura Thomsonmay Office Of Basic Energy Sciences Office Of Science User Facility Lawrence Berkeley National Laboratory Office Of Science Division Of Chemical Sciences
Source: azom.com

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DOE INCITE Program Seeks 2024 Proposals for Science and Engineering at Leadership Computing  Facilities - High-Performance Computing News Analysis

April 10, 2023 — The U.S. Department of Energyโ€™s (DOE) Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program is [...]
Katherine Riley Bronson Messer Office Of Science User Facilities Us Department Of Energy Novel Computational Impact Argonne Leadership Computing Facility

Machine learning, harnessed to extreme computing, aids fusion energy development

MIT scientists completed one of the most demanding calculations in fusion science: predicting the temperature and density profiles of a magnetically confined plasma via first-principles simulation of plasma turbulence. The researchers used an optimization methodology developed for machine learning to dramatically reduce the CPU time required while maintaining the accuracy of the solution.
Jonathan Citrin Nathan Howard Pablo Rodriguez Fernandez Dutch Institute For Fundamental Energy Research Eindhoven University Of Technology Fusion Center
Source: mit.edu

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